#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pn2 h TYR -3 N 0.00 0.00 -3.47 1.96 -0.00 -2.18 -3.46 116.97 109.82 2pn2 h TYR -3 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 58.73 58.20 2pn2 h TYR -3 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.70 2pn2 h TYR -3 CO 0.00 0.00 0.26 0.12 -0.00 0.00 0.00 178.16 178.54 2pn2 s PHE -2 N -3.18 3.75 -0.13 0.10 5.36 -1.26 -5.07 117.98 117.55 2pn2 s PHE -2 Ca 0.09 1.61 0.02 0.00 -0.96 0.00 0.00 56.93 57.69 2pn2 s PHE -2 Cb 0.10 -2.94 -0.00 0.00 -0.34 0.00 0.00 43.02 39.83 2pn2 s PHE -2 CO 0.60 0.20 -0.19 -0.65 -1.46 0.00 0.00 175.22 173.71 2pn2 s GLN -1 N 0.15 3.15 0.00 10.12 -0.21 -1.26 -5.30 119.66 126.31 2pn2 s GLN -1 Ca 0.43 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 55.01 2pn2 s GLN -1 Cb -0.21 -2.47 0.00 0.00 1.00 0.00 0.00 33.01 31.32 2pn2 s GLN -1 CO 0.26 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.94 2pn2 n GLY 0 N 3.78 1.24 3.28 3.09 0.00 -1.26 -5.26 105.19 110.05 2pn2 n GLY 0 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2pn2 n GLY 0 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pn2 s THR 2 N 0.00 1.87 -0.18 2.61 2.01 -1.26 -5.22 115.64 115.46 2pn2 s THR 2 Ca 0.00 -1.09 -0.23 0.00 0.31 0.00 0.00 61.69 60.68 2pn2 s THR 2 Cb 0.00 -1.57 -0.21 0.00 0.01 0.00 0.00 72.50 70.73 2pn2 s THR 2 CO 0.00 0.45 0.38 0.74 -0.69 0.00 0.00 174.62 175.50 2pn2 h THR 3 N 4.48 1.16 -3.64 -0.82 2.02 -2.02 -3.45 112.91 110.64 2pn2 h THR 3 Ca -0.42 -2.19 -0.07 0.00 0.77 0.00 0.00 66.41 64.50 2pn2 h THR 3 Cb 1.14 2.52 -0.11 0.00 -1.74 0.00 0.00 68.15 69.95 2pn2 h THR 3 CO 0.46 0.39 -0.16 -0.94 0.37 0.00 0.00 175.52 175.65 2pn2 s SER 4 N -6.61 -0.09 -0.16 4.18 1.04 -1.26 -2.99 113.70 107.81 2pn2 s SER 4 Ca -0.25 -0.75 -0.00 0.00 0.48 0.00 0.00 55.95 55.43 2pn2 s SER 4 Cb 0.03 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.70 2pn2 s SER 4 CO 0.61 -1.00 -0.08 -0.75 0.98 0.00 0.00 173.24 173.00 2pn2 s LYS 5 N -3.95 1.67 -0.11 4.02 2.47 -0.34 -4.96 119.74 118.53 2pn2 s LYS 5 Ca 0.15 -0.56 -0.05 0.00 -1.56 0.00 0.00 55.97 53.95 2pn2 s LYS 5 Cb 0.01 -2.06 -0.04 0.00 -1.46 0.00 0.00 37.83 34.28 2pn2 s LYS 5 CO 0.01 -0.39 0.08 0.08 0.16 0.00 0.00 175.35 175.29 2pn2 s VAL 6 N 1.57 5.01 -0.11 4.02 1.01 -1.26 -1.67 120.40 128.98 2pn2 s VAL 6 Ca 0.01 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2pn2 s VAL 6 Cb -0.15 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.07 2pn2 s VAL 6 CO -0.08 0.60 -0.21 -0.89 0.00 0.00 0.00 175.10 174.51 2pn2 s THR 7 N -0.82 1.91 -0.28 3.92 2.01 0.15 -4.95 115.64 117.57 2pn2 s THR 7 Ca 0.13 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 60.93 2pn2 s THR 7 Cb -0.12 -1.67 0.01 0.00 0.01 0.00 0.00 72.50 70.73 2pn2 s THR 7 CO 0.03 0.52 1.11 -0.47 -0.69 0.00 0.00 174.62 175.12 2pn2 s TYR 8 N 0.57 3.12 -2.36 4.92 5.04 -1.26 -0.91 117.35 126.48 2pn2 s TYR 8 Ca -0.14 1.22 0.23 0.00 -2.44 0.00 0.00 57.07 55.94 2pn2 s TYR 8 Cb -0.17 -3.59 0.47 0.00 0.35 0.00 0.00 41.96 39.03 2pn2 s TYR 8 CO 0.04 -0.87 1.43 1.04 -1.34 0.00 0.00 175.55 175.85 2pn2 n GLN 9 N 6.75 2.56 0.00 4.97 6.02 0.05 -5.01 117.38 132.73 2pn2 n GLN 9 Ca 0.12 -2.38 0.00 0.00 -0.01 0.00 0.00 57.00 54.73 2pn2 n GLN 9 Cb 0.47 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.20 2pn2 n GLN 9 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pn2 n GLY 10 N 1.54 -0.69 2.50 1.08 0.00 -1.25 -4.89 105.19 103.47 2pn2 n GLY 10 Ca 0.21 -1.68 -0.20 0.00 0.00 0.00 0.00 46.02 44.35 2pn2 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pn2 n ASP 11 N -1.47 -5.54 -2.04 1.61 8.00 -1.26 -1.69 116.55 114.16 2pn2 n ASP 11 Ca 0.00 -0.02 -0.19 0.00 0.71 0.00 0.00 54.79 55.29 2pn2 n ASP 11 Cb 0.00 -4.60 -0.03 0.00 -0.02 0.00 0.00 41.12 36.47 2pn2 n ASP 11 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2pn2 n LEU 12 N -3.11 -1.78 -4.64 0.64 4.77 -1.26 -3.71 117.00 107.92 2pn2 n LEU 12 Ca -0.21 0.10 -0.34 0.00 -0.03 0.00 0.00 56.01 55.53 2pn2 n LEU 12 Cb 0.66 -2.75 -0.10 0.00 -2.33 0.00 0.00 43.42 38.91 2pn2 n LEU 12 CO 0.29 -0.39 -0.34 -0.60 -1.33 0.00 0.00 177.39 175.02 2pn2 s ARG 13 N -4.66 2.83 0.15 3.23 3.52 -0.68 -2.35 118.95 120.98 2pn2 s ARG 13 Ca 0.00 -0.52 0.08 0.00 -0.13 0.00 0.00 55.73 55.16 2pn2 s ARG 13 Cb 0.00 -2.67 -0.04 0.00 -1.56 0.00 0.00 34.95 30.68 2pn2 s ARG 13 CO 0.00 0.67 -0.17 0.95 -0.81 0.00 0.00 175.30 175.93 2pn2 s THR 14 N -0.90 1.71 -0.08 4.11 -4.23 -0.28 -0.77 115.64 115.20 2pn2 s THR 14 Ca 0.14 -1.85 0.01 0.00 -1.18 0.00 0.00 61.69 58.81 2pn2 s THR 14 Cb -0.11 -1.76 0.02 0.00 1.34 0.00 0.00 72.50 71.98 2pn2 s THR 14 CO 0.04 -0.32 -0.10 -0.55 -0.54 0.00 0.00 174.62 173.15 2pn2 s SER 15 N -2.58 1.80 -0.10 3.99 0.15 -0.09 -1.14 113.70 115.73 2pn2 s SER 15 Ca 0.14 -0.28 0.03 0.00 0.70 0.00 0.00 55.95 56.54 2pn2 s SER 15 Cb -0.06 -0.78 0.01 0.00 -1.71 0.00 0.00 66.02 63.47 2pn2 s SER 15 CO 0.06 -0.03 -0.21 0.00 1.20 0.00 0.00 173.24 174.26 2pn2 s ALA 16 N 1.03 1.96 -0.17 5.45 0.00 0.72 0.32 121.76 131.07 2pn2 s ALA 16 Ca -0.08 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 2pn2 s ALA 16 Cb -0.15 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 2pn2 s ALA 16 CO -0.00 0.18 -0.06 0.42 0.00 0.00 0.00 175.76 176.29 2pn2 s ILE 17 N 0.53 3.53 -0.39 0.00 -1.09 -0.67 -0.68 121.20 122.43 2pn2 s ILE 17 Ca -0.15 -0.48 -0.22 0.00 -2.23 0.00 0.00 60.65 57.57 2pn2 s ILE 17 Cb -0.17 -2.55 0.01 0.00 -1.58 0.00 0.00 42.46 38.18 2pn2 s ILE 17 CO 0.06 0.48 0.70 -2.28 -1.23 0.00 0.00 174.94 172.67 2pn2 s HIS 18 N 0.66 3.09 0.09 3.97 5.65 -0.73 -1.20 115.29 126.82 2pn2 s HIS 18 Ca -0.04 0.29 -0.20 0.00 0.25 0.00 0.00 55.06 55.36 2pn2 s HIS 18 Cb -0.15 -3.35 -0.06 0.00 -1.18 0.00 0.00 32.58 27.85 2pn2 s HIS 18 CO 0.02 -0.77 1.34 1.37 -0.65 0.00 0.00 174.74 176.05 2pn2 h LEU 19 N 9.68 -1.27 -0.45 8.88 -0.00 -1.84 0.47 115.31 130.78 2pn2 h LEU 19 Ca -0.25 0.18 0.05 0.00 -0.00 0.00 0.00 57.88 57.86 2pn2 h LEU 19 Cb 1.10 0.54 -0.05 0.00 -0.00 0.00 0.00 40.66 42.26 2pn2 h LEU 19 CO 0.89 -0.19 0.19 0.06 -0.00 0.00 0.00 178.44 179.38 2pn2 h GLN 20 N -0.11 0.37 0.00 0.17 -0.00 -1.89 -3.11 115.11 110.53 2pn2 h GLN 20 Ca 0.07 -0.02 -0.19 0.00 -0.00 0.00 0.00 58.65 58.51 2pn2 h GLN 20 Cb 0.31 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.48 27.67 2pn2 h GLN 20 CO -0.49 0.24 -1.37 0.66 -0.00 0.00 0.00 178.83 177.87 2pn2 h SER 21 N 0.38 0.00 -0.61 0.06 4.64 -1.95 -3.48 113.55 112.59 2pn2 h SER 21 Ca 0.21 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.33 2pn2 h SER 21 Cb 0.17 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.19 2pn2 h SER 21 CO -0.19 0.67 -0.19 -3.20 -0.87 0.00 0.00 176.83 173.05 2pn2 n ASN 22 N -2.97 -4.05 -4.86 4.97 5.15 0.16 -5.03 115.26 108.63 2pn2 n ASN 22 Ca -0.10 0.20 -0.31 0.00 -0.60 0.00 0.00 54.58 53.78 2pn2 n ASN 22 Cb 0.88 -2.55 -0.04 0.00 -0.53 0.00 0.00 39.78 37.53 2pn2 n ASN 22 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2pn2 s ASN 23 N -2.85 6.63 -0.05 1.20 2.47 -1.23 -4.81 114.94 116.31 2pn2 s ASN 23 Ca 0.00 1.21 0.06 0.00 0.42 0.00 0.00 52.86 54.55 2pn2 s ASN 23 Cb 0.00 -2.35 -0.02 0.00 -1.45 0.00 0.00 41.25 37.43 2pn2 s ASN 23 CO 0.00 -0.32 -0.22 -0.70 -3.72 0.00 0.00 177.10 172.13 2pn2 s GLU 24 N -3.48 2.42 0.01 0.43 2.12 -1.26 -1.78 118.70 117.16 2pn2 s GLU 24 Ca 0.53 -0.86 0.04 0.00 0.36 0.00 0.00 54.97 55.04 2pn2 s GLU 24 Cb -0.10 -2.19 -0.01 0.00 0.26 0.00 0.00 34.13 32.09 2pn2 s GLU 24 CO 0.25 0.49 -0.12 0.96 -0.54 0.00 0.00 175.26 176.30 2pn2 s ILE 25 N -0.42 0.95 0.03 -3.70 -4.36 0.15 -4.98 121.20 108.87 2pn2 s ILE 25 Ca 0.04 -0.68 0.06 0.00 -0.26 0.00 0.00 60.65 59.81 2pn2 s ILE 25 Cb -0.12 -0.83 -0.03 0.00 1.25 0.00 0.00 42.46 42.73 2pn2 s ILE 25 CO 0.01 0.14 -0.13 -0.63 0.24 0.00 0.00 174.94 174.57 2pn2 s ILE 26 N -0.51 3.14 0.10 8.37 -1.09 -1.26 -0.20 121.20 129.75 2pn2 s ILE 26 Ca 0.03 -1.02 0.07 0.00 -2.23 0.00 0.00 60.65 57.50 2pn2 s ILE 26 Cb -0.06 -2.34 -0.03 0.00 -1.58 0.00 0.00 42.46 38.44 2pn2 s ILE 26 CO 0.00 0.35 -0.19 0.42 -1.23 0.00 0.00 174.94 174.30 2pn2 s THR 27 N -0.96 1.58 0.03 2.92 -4.23 -0.29 -4.15 115.64 110.54 2pn2 s THR 27 Ca 0.16 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 59.17 2pn2 s THR 27 Cb -0.11 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 72.25 2pn2 s THR 27 CO 0.06 -0.13 -0.07 -1.81 -0.54 0.00 0.00 174.62 172.14 2pn2 s ASP 28 N -1.94 0.81 0.48 3.99 1.01 -0.90 -1.12 116.67 119.00 2pn2 s ASP 28 Ca 0.05 -0.41 -0.21 0.00 0.71 0.00 0.00 52.55 52.69 2pn2 s ASP 28 Cb -0.10 0.00 -0.08 0.00 1.01 0.00 0.00 42.92 43.75 2pn2 s ASP 28 CO 0.04 -0.12 1.05 0.00 0.21 0.00 0.00 175.17 176.35 2pn2 s ALA 29 N -0.99 2.87 0.89 5.23 0.00 -0.99 -3.69 121.76 125.08 2pn2 s ALA 29 Ca -0.06 0.65 -0.10 0.00 0.00 0.00 0.00 51.96 52.44 2pn2 s ALA 29 Cb -0.08 -3.27 0.13 0.00 0.00 0.00 0.00 23.12 19.90 2pn2 s ALA 29 CO 0.00 -0.36 1.13 -2.14 0.00 0.00 0.00 175.76 174.39 2pn2 s PRO 30 N -3.16 1.25 0.51 0.00 0.02 -1.26 -2.34 135.00 130.02 2pn2 s PRO 30 Ca 0.67 1.39 0.24 0.00 0.02 0.00 0.00 61.00 63.32 2pn2 s PRO 30 Cb -0.18 -1.77 1.39 0.00 0.02 0.00 0.00 34.50 33.96 2pn2 s PRO 30 CO 0.21 -2.42 2.09 0.28 -0.33 0.00 0.00 177.00 176.83 2pn2 h VAL 31 N -1.71 0.74 -1.24 3.83 2.07 -1.90 -1.72 116.25 116.32 2pn2 h VAL 31 Ca -0.44 -0.44 0.38 0.00 0.82 0.00 0.00 66.70 67.02 2pn2 h VAL 31 Cb 1.26 1.26 -0.11 0.00 -1.52 0.00 0.00 31.29 32.18 2pn2 h VAL 31 CO 0.45 0.11 0.81 0.44 0.02 0.00 0.00 177.57 179.40 2pn2 h ASP 32 N 0.00 0.28 -1.69 0.57 3.45 -1.91 -2.46 116.42 114.66 2pn2 h ASP 32 Ca -0.00 0.11 -0.49 0.00 0.43 0.00 0.00 57.03 57.08 2pn2 h ASP 32 Cb 0.25 0.08 -0.41 0.00 -0.56 0.00 0.00 39.33 38.69 2pn2 h ASP 32 CO 0.01 -0.08 -1.00 -0.46 -1.57 0.00 0.00 179.24 176.14 2pn2 n ASN 33 N -4.61 2.46 -1.10 6.45 6.94 -0.98 -5.01 115.26 119.40 2pn2 n ASN 33 Ca 0.33 -3.19 -0.14 0.00 -0.02 0.00 0.00 54.58 51.55 2pn2 n ASN 33 Cb 1.26 -0.55 -0.06 0.00 -2.36 0.00 0.00 39.78 38.07 2pn2 n ASN 33 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2pn2 n GLN 34 N -0.06 -1.21 -2.28 -3.83 6.02 -0.93 -4.86 117.38 110.23 2pn2 n GLN 34 Ca 0.24 0.99 -0.25 0.00 -0.01 0.00 0.00 57.00 57.97 2pn2 n GLN 34 Cb 0.65 -5.19 0.07 0.00 1.02 0.00 0.00 30.24 26.79 2pn2 n GLN 34 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2pn2 s GLY 35 N -2.71 1.72 0.45 1.08 0.00 -0.68 -4.82 107.32 102.35 2pn2 s GLY 35 Ca 0.00 -1.04 0.25 0.00 0.00 0.00 0.00 44.72 43.94 2pn2 s GLY 35 CO 0.00 -0.63 1.79 0.50 0.00 0.00 0.00 173.10 174.76 2pn2 h LYS 36 N -0.52 0.00 -1.81 2.90 1.57 -1.64 -3.35 116.57 113.73 2pn2 h LYS 36 Ca -0.44 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.08 2pn2 h LYS 36 Cb 1.31 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.53 2pn2 h LYS 36 CO 0.57 0.17 -0.25 0.41 -0.57 0.00 0.00 179.45 179.78 2pn2 n GLY 37 N 0.39 0.92 2.30 3.86 0.00 -0.99 -4.86 105.19 106.80 2pn2 n GLY 37 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2pn2 n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2pn2 n GLU 38 N -2.02 3.01 -3.65 1.61 0.28 -1.26 -4.96 120.64 113.66 2pn2 n GLU 38 Ca -0.13 -3.64 -0.04 0.00 -0.16 0.00 0.00 57.16 53.19 2pn2 n GLU 38 Cb 0.46 -2.28 -0.01 0.00 1.43 0.00 0.00 31.44 31.03 2pn2 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2pn2 s ALA 39 N -3.77 -1.84 0.31 -1.84 0.00 -1.26 -4.98 121.76 108.38 2pn2 s ALA 39 Ca 0.59 0.61 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 2pn2 s ALA 39 Cb 0.47 0.46 -0.13 0.00 0.00 0.00 0.00 23.12 23.92 2pn2 s ALA 39 CO -0.04 -0.90 1.26 1.19 0.00 0.00 0.00 175.76 177.26 2pn2 n PHE 40 N -0.38 2.05 -1.73 0.00 3.01 -1.26 -4.31 117.46 114.84 2pn2 n PHE 40 Ca -0.07 0.56 -0.31 0.00 1.01 0.00 0.00 57.45 58.65 2pn2 n PHE 40 Cb 0.61 -2.39 0.04 0.00 -0.01 0.00 0.00 39.48 37.74 2pn2 n PHE 40 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2pn2 s SER 41 N -0.23 5.50 0.23 4.37 1.04 -1.24 -2.12 113.70 121.25 2pn2 s SER 41 Ca 0.59 1.38 -0.06 0.00 0.48 0.00 0.00 55.95 58.34 2pn2 s SER 41 Cb -0.62 -2.27 0.34 0.00 0.10 0.00 0.00 66.02 63.57 2pn2 s SER 41 CO 0.59 -1.34 1.81 -0.65 0.98 0.00 0.00 173.24 174.64 2pn2 h PRO 42 N -0.65 0.75 -0.15 4.02 0.11 -1.96 -0.06 132.00 134.07 2pn2 h PRO 42 Ca -0.45 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 2pn2 h PRO 42 Cb 1.22 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2pn2 h PRO 42 CO 0.61 0.50 -0.40 1.79 -0.21 0.00 0.00 178.00 180.28 2pn2 h THR 43 N 0.77 1.31 -0.81 -1.15 1.35 -1.96 -1.85 112.91 110.57 2pn2 h THR 43 Ca 0.36 -1.53 0.04 0.00 -0.55 0.00 0.00 66.41 64.74 2pn2 h THR 43 Cb 0.29 1.64 -0.05 0.00 -1.73 0.00 0.00 68.15 68.29 2pn2 h THR 43 CO -0.22 0.46 0.51 0.44 -0.25 0.00 0.00 175.52 176.46 2pn2 h ASP 44 N 0.28 0.83 -0.58 5.36 3.32 -1.81 -0.54 116.42 123.29 2pn2 h ASP 44 Ca 0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2pn2 h ASP 44 Cb 0.84 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 2pn2 h ASP 44 CO 0.07 0.56 0.32 0.25 -1.72 0.00 0.00 179.24 178.72 2pn2 h LEU 45 N 0.97 0.72 -0.23 1.55 5.85 -0.46 0.00 115.31 123.72 2pn2 h LEU 45 Ca 0.33 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2pn2 h LEU 45 Cb 0.06 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2pn2 h LEU 45 CO -0.13 0.60 0.11 0.25 -0.34 0.00 0.00 178.44 178.93 2pn2 h LEU 46 N 0.78 0.30 -0.43 2.25 6.46 -0.88 -0.43 115.31 123.37 2pn2 h LEU 46 Ca 0.20 -0.13 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2pn2 h LEU 46 Cb 0.04 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.86 2pn2 h LEU 46 CO -0.03 0.34 0.25 0.00 -0.62 0.00 0.00 178.44 178.38 2pn2 h ALA 47 N 0.97 0.54 -0.54 1.25 0.00 -0.84 -2.73 119.26 117.91 2pn2 h ALA 47 Ca 0.08 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2pn2 h ALA 47 Cb 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2pn2 h ALA 47 CO -0.01 -0.08 0.09 1.15 0.00 0.00 0.00 179.25 180.40 2pn2 h THR 48 N 0.50 1.24 -0.56 0.00 2.02 -0.85 -2.71 112.91 112.53 2pn2 h THR 48 Ca 0.17 -0.89 0.03 0.00 0.77 0.00 0.00 66.41 66.49 2pn2 h THR 48 Cb 0.02 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2pn2 h THR 48 CO -0.09 0.33 0.37 0.77 0.37 0.00 0.00 175.52 177.28 2pn2 h SER 49 N 0.81 0.58 -0.05 4.18 4.64 -0.77 -0.02 113.55 122.92 2pn2 h SER 49 Ca 0.17 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2pn2 h SER 49 Cb 0.35 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2pn2 h SER 49 CO 0.01 0.40 0.03 0.25 -0.87 0.00 0.00 176.83 176.65 2pn2 h LEU 50 N 0.68 0.07 -0.57 5.97 5.85 -1.31 0.07 115.31 126.06 2pn2 h LEU 50 Ca 0.22 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2pn2 h LEU 50 Cb 0.05 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2pn2 h LEU 50 CO -0.06 0.14 0.26 0.00 -0.34 0.00 0.00 178.44 178.45 2pn2 h ALA 51 N 0.93 0.74 -0.78 1.25 0.00 -1.38 -2.83 119.26 117.20 2pn2 h ALA 51 Ca 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2pn2 h ALA 51 Cb 0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2pn2 h ALA 51 CO -0.00 0.32 0.47 0.77 0.00 0.00 0.00 179.25 180.81 2pn2 h SER 52 N 0.78 0.93 0.00 0.00 0.02 -0.87 -1.54 113.55 112.87 2pn2 h SER 52 Ca 0.20 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2pn2 h SER 52 Cb 0.14 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2pn2 h SER 52 CO -0.02 0.72 0.00 0.00 -1.14 0.00 0.00 176.83 176.39 2pn2 n LEU 55 N 0.52 0.00 -0.02 0.00 4.77 -0.58 -1.25 117.00 120.43 2pn2 n LEU 55 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2pn2 n LEU 55 Cb 0.05 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 2pn2 n LEU 55 CO 0.00 0.00 0.69 0.74 -1.33 0.00 0.00 177.39 177.49 2pn2 h THR 56 N 0.00 1.30 -0.20 -5.08 2.02 -1.49 0.86 112.91 110.31 2pn2 h THR 56 Ca 0.00 -0.94 -0.10 0.00 0.77 0.00 0.00 66.41 66.13 2pn2 h THR 56 Cb 0.00 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 2pn2 h THR 56 CO 0.00 0.26 -0.32 -0.29 0.37 0.00 0.00 175.52 175.54 2pn2 h ILE 57 N -0.22 1.28 -0.71 3.11 2.10 -1.44 -1.75 117.51 119.88 2pn2 h ILE 57 Ca 0.02 -1.37 -0.04 0.00 1.08 0.00 0.00 64.86 64.54 2pn2 h ILE 57 Cb 0.42 1.48 -0.03 0.00 -1.09 0.00 0.00 36.82 37.60 2pn2 h ILE 57 CO 0.01 0.43 0.28 0.40 -1.08 0.00 0.00 178.15 178.18 2pn2 h ILE 58 N 0.35 1.25 -0.94 2.19 2.04 -1.78 -2.53 117.51 118.08 2pn2 h ILE 58 Ca 0.04 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.16 2pn2 h ILE 58 Cb 0.74 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 2pn2 h ILE 58 CO 0.06 0.31 0.62 1.23 0.00 0.00 0.00 178.15 180.37 2pn2 h GLY 59 N 1.01 1.37 0.95 5.37 0.00 -0.21 0.46 103.07 112.03 2pn2 h GLY 59 Ca 0.23 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 2pn2 h GLY 59 CO -0.02 0.39 0.17 -2.22 0.00 0.00 0.00 176.54 174.86 2pn2 h ILE 60 N 1.17 1.20 -0.38 2.60 2.04 -1.20 0.23 117.51 123.18 2pn2 h ILE 60 Ca 0.38 -0.63 -0.10 0.00 1.00 0.00 0.00 64.86 65.51 2pn2 h ILE 60 Cb 0.04 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2pn2 h ILE 60 CO -0.12 0.23 -0.15 0.50 0.00 0.00 0.00 178.15 178.61 2pn2 h LYS 61 N 0.55 0.78 -0.27 2.37 1.63 -0.96 -1.68 116.57 118.99 2pn2 h LYS 61 Ca 0.14 -0.33 -0.05 0.00 -0.85 0.00 0.00 60.65 59.57 2pn2 h LYS 61 Cb 0.20 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 2pn2 h LYS 61 CO -0.01 0.94 -0.05 0.00 -3.45 0.00 0.00 179.45 176.89 2pn2 h ALA 62 N 0.81 1.42 -0.17 5.00 0.00 -0.00 -2.85 119.26 123.47 2pn2 h ALA 62 Ca 0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2pn2 h ALA 62 Cb 0.69 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2pn2 h ALA 62 CO 0.05 0.41 -0.07 -0.09 0.00 0.00 0.00 179.25 179.55 2pn2 h ARG 63 N 0.41 0.35 -1.39 0.00 2.43 -0.75 0.24 114.38 115.68 2pn2 h ARG 63 Ca 0.09 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2pn2 h ARG 63 Cb 0.34 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2pn2 h ARG 63 CO 0.01 0.65 0.00 -0.25 -1.51 0.00 0.00 179.97 178.87 2pn2 n ASP 64 N -4.63 0.36 -2.48 -3.80 8.00 -0.65 -4.64 116.55 108.71 2pn2 n ASP 64 Ca -0.05 -0.29 -0.03 0.00 0.71 0.00 0.00 54.79 55.12 2pn2 n ASP 64 Cb 0.30 -0.07 0.09 0.00 -0.02 0.00 0.00 41.12 41.41 2pn2 n ASP 64 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2pn2 n GLU 66 N 0.79 0.94 -3.98 -1.24 1.02 -0.38 -5.10 120.64 112.69 2pn2 n GLU 66 Ca 0.00 -1.10 -0.34 0.00 -0.02 0.00 0.00 57.16 55.70 2pn2 n GLU 66 Cb 0.06 0.18 -0.15 0.00 -0.02 0.00 0.00 31.44 31.51 2pn2 n GLU 66 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2pn2 s ILE 67 N 0.11 2.88 -0.30 -3.67 1.01 0.72 -5.09 121.20 116.87 2pn2 s ILE 67 Ca 0.10 -0.82 -0.29 0.00 0.00 0.00 0.00 60.65 59.64 2pn2 s ILE 67 Cb 0.31 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 40.44 2pn2 s ILE 67 CO -0.08 0.35 1.07 -0.62 0.00 0.00 0.00 174.94 175.66 2pn2 s ASP 68 N 1.37 6.98 -0.15 3.58 -1.08 -1.26 -4.33 116.67 121.78 2pn2 s ASP 68 Ca 0.03 1.14 0.17 0.00 -0.52 0.00 0.00 52.55 53.37 2pn2 s ASP 68 Cb -0.15 -2.54 0.42 0.00 -1.46 0.00 0.00 42.92 39.19 2pn2 s ASP 68 CO -0.06 -0.83 1.30 2.30 0.52 0.00 0.00 175.17 178.41 2pn2 n ILE 69 N 5.73 2.06 -1.75 4.11 -5.35 -1.26 -4.85 119.36 118.03 2pn2 n ILE 69 Ca 0.12 -1.96 -0.41 0.00 -0.27 0.00 0.00 62.75 60.22 2pn2 n ILE 69 Cb 0.47 -0.20 -0.00 0.00 -1.74 0.00 0.00 39.64 38.17 2pn2 n ILE 69 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2pn2 n ALA 70 N -0.81 2.08 -0.25 -1.28 0.00 -1.26 -1.92 120.51 117.07 2pn2 n ALA 70 Ca 0.18 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2pn2 n ALA 70 Cb 0.76 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2pn2 n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pn2 n GLY 71 N 0.54 1.23 3.77 0.00 0.00 -1.26 -4.67 105.19 104.80 2pn2 n GLY 71 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2pn2 n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pn2 s THR 72 N -2.79 2.03 0.13 2.61 2.01 -0.81 -4.58 115.64 114.23 2pn2 s THR 72 Ca 0.00 0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.09 2pn2 s THR 72 Cb 0.00 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 2pn2 s THR 72 CO 0.00 0.00 -0.16 0.42 -0.69 0.00 0.00 174.62 174.19 2pn2 s THR 73 N -1.18 1.49 -0.15 -0.82 -4.23 -0.42 -4.98 115.64 105.35 2pn2 s THR 73 Ca 0.60 -1.72 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 2pn2 s THR 73 Cb -0.45 -1.58 0.05 0.00 1.34 0.00 0.00 72.50 71.86 2pn2 s THR 73 CO 0.58 -0.33 0.01 0.00 -0.54 0.00 0.00 174.62 174.34 2pn2 s ALA 74 N -1.93 0.97 -0.17 3.99 0.00 -1.26 -0.56 121.76 122.79 2pn2 s ALA 74 Ca 0.10 -0.52 -0.21 0.00 0.00 0.00 0.00 51.96 51.32 2pn2 s ALA 74 Cb -0.06 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 2pn2 s ALA 74 CO 0.04 -0.88 0.64 -1.21 0.00 0.00 0.00 175.76 174.35 2pn2 s GLU 75 N 1.87 4.25 -0.17 0.00 2.02 -0.31 -4.89 118.70 121.47 2pn2 s GLU 75 Ca 0.01 0.66 -0.04 0.00 0.02 0.00 0.00 54.97 55.63 2pn2 s GLU 75 Cb -0.15 -3.55 -0.02 0.00 0.10 0.00 0.00 34.13 30.50 2pn2 s GLU 75 CO -0.07 -0.18 -0.04 0.08 0.02 0.00 0.00 175.26 175.08 2pn2 s VAL 76 N 1.69 3.82 -0.05 2.63 1.01 -1.26 -1.16 120.40 127.09 2pn2 s VAL 76 Ca 0.30 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2pn2 s VAL 76 Cb -0.16 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.53 2pn2 s VAL 76 CO 0.11 0.48 -0.17 -0.89 0.00 0.00 0.00 175.10 174.63 2pn2 s THR 77 N 0.57 1.44 0.09 3.92 2.01 0.37 -4.99 115.64 119.06 2pn2 s THR 77 Ca -0.03 -0.72 0.09 0.00 0.31 0.00 0.00 61.69 61.34 2pn2 s THR 77 Cb -0.14 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 2pn2 s THR 77 CO 0.03 0.42 -0.19 -1.59 -0.69 0.00 0.00 174.62 172.59 2pn2 s LYS 78 N 0.08 1.85 0.25 4.92 -2.85 -1.26 -0.19 119.74 122.54 2pn2 s LYS 78 Ca -0.05 -1.13 0.00 0.00 -1.00 0.00 0.00 55.97 53.79 2pn2 s LYS 78 Cb -0.12 -2.12 -0.00 0.00 -2.06 0.00 0.00 37.83 33.53 2pn2 s LYS 78 CO 0.02 0.50 0.00 0.28 0.10 0.00 0.00 175.35 176.26 2pn2 n VAL 79 N 1.06 0.00 -3.63 1.79 0.31 -0.16 -4.99 118.33 112.71 2pn2 n VAL 79 Ca -0.16 -1.18 -0.10 0.00 -0.01 0.00 0.00 64.34 62.89 2pn2 n VAL 79 Cb 0.52 0.24 -0.04 0.00 -0.91 0.00 0.00 33.84 33.66 2pn2 n VAL 79 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pn2 s ALA 81 N -2.43 -1.10 0.39 3.52 0.00 -0.36 -0.75 121.76 121.02 2pn2 s ALA 81 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 51.96 52.04 2pn2 s ALA 81 Cb 0.00 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 2pn2 s ALA 81 CO 0.00 -0.75 0.27 0.00 0.00 0.00 0.00 175.76 175.28 2pn2 s ALA 82 N -3.82 3.81 -0.84 0.00 0.00 -1.26 -2.45 121.76 117.19 2pn2 s ALA 82 Ca 0.05 -1.90 -0.03 0.00 0.00 0.00 0.00 51.96 50.08 2pn2 s ALA 82 Cb -0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 23.12 22.29 2pn2 s ALA 82 CO -0.08 -0.13 0.69 -0.25 0.00 0.00 0.00 175.76 175.99 2pn2 n ASP 83 N -1.37 -6.37 -4.89 0.00 8.00 -1.26 -4.58 116.55 106.08 2pn2 n ASP 83 Ca 0.00 -0.55 -0.29 0.00 0.71 0.00 0.00 54.79 54.67 2pn2 n ASP 83 Cb 0.62 -3.74 -0.02 0.00 -0.02 0.00 0.00 41.12 37.96 2pn2 n ASP 83 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2pn2 s PRO 84 N -4.17 3.69 0.11 -0.24 0.04 -1.26 -5.10 135.00 128.07 2pn2 s PRO 84 Ca 0.08 0.34 -0.33 0.00 0.04 0.00 0.00 61.00 61.13 2pn2 s PRO 84 Cb -0.03 -2.41 -0.13 0.00 0.04 0.00 0.00 34.50 31.98 2pn2 s PRO 84 CO 0.82 -0.07 1.69 -2.13 0.04 0.00 0.00 177.00 177.35 2pn2 n ARG 85 N -1.58 2.29 -3.62 4.56 0.63 -1.26 -4.84 116.66 112.84 2pn2 n ARG 85 Ca 0.01 0.83 -0.06 0.00 -0.92 0.00 0.00 57.85 57.72 2pn2 n ARG 85 Cb 0.54 -2.64 -0.02 0.00 0.45 0.00 0.00 32.46 30.80 2pn2 n ARG 85 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 2pn2 s ARG 86 N 1.84 0.97 0.08 -0.14 1.70 -1.03 -5.01 118.95 117.37 2pn2 s ARG 86 Ca 0.82 -0.46 -0.30 0.00 -0.47 0.00 0.00 55.73 55.32 2pn2 s ARG 86 Cb -0.64 0.38 -0.05 0.00 -0.57 0.00 0.00 34.95 34.07 2pn2 s ARG 86 CO 0.40 -0.44 1.07 0.08 -1.08 0.00 0.00 175.30 175.33 2pn2 s VAL 87 N -3.17 4.34 -0.09 4.99 1.01 -1.26 -1.22 120.40 125.00 2pn2 s VAL 87 Ca 0.09 1.79 0.06 0.00 0.00 0.00 0.00 61.98 63.91 2pn2 s VAL 87 Cb -0.01 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 2pn2 s VAL 87 CO -0.04 0.20 -0.00 -1.54 0.00 0.00 0.00 175.10 173.72 2pn2 n SER 88 N 3.38 2.90 -3.87 3.32 3.41 0.07 -4.80 113.62 118.03 2pn2 n SER 88 Ca 0.05 -0.02 -0.11 0.00 -0.26 0.00 0.00 58.87 58.54 2pn2 n SER 88 Cb 0.48 0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 64.81 2pn2 n SER 88 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2pn2 s GLU 89 N -2.22 0.36 -0.15 4.33 2.02 -0.99 -1.54 118.70 120.51 2pn2 s GLU 89 Ca -0.07 -0.24 -0.01 0.00 0.02 0.00 0.00 54.97 54.67 2pn2 s GLU 89 Cb 0.03 0.15 0.04 0.00 0.10 0.00 0.00 34.13 34.44 2pn2 s GLU 89 CO 0.34 -0.08 -0.06 0.08 0.02 0.00 0.00 175.26 175.57 2pn2 s VAL 90 N -0.93 1.04 -0.21 2.63 1.01 -0.23 -0.99 120.40 122.73 2pn2 s VAL 90 Ca -0.10 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 2pn2 s VAL 90 Cb -0.06 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2pn2 s VAL 90 CO 0.01 0.20 0.09 -1.00 0.00 0.00 0.00 175.10 174.40 2pn2 s HIS 91 N 1.68 3.25 -0.22 5.22 3.76 0.74 -1.18 115.29 128.53 2pn2 s HIS 91 Ca 0.02 0.06 0.01 0.00 -0.15 0.00 0.00 55.06 55.00 2pn2 s HIS 91 Cb -0.14 -2.16 0.05 0.00 1.11 0.00 0.00 32.58 31.44 2pn2 s HIS 91 CO -0.08 0.06 -0.10 0.42 -0.85 0.00 0.00 174.74 174.19 2pn2 s ILE 92 N 0.74 1.79 -0.39 0.60 1.09 0.45 -0.48 121.20 125.00 2pn2 s ILE 92 Ca 0.05 -1.21 -0.14 0.00 -1.10 0.00 0.00 60.65 58.25 2pn2 s ILE 92 Cb -0.13 -1.89 0.02 0.00 -1.06 0.00 0.00 42.46 39.40 2pn2 s ILE 92 CO 0.02 0.10 0.27 0.00 -0.10 0.00 0.00 174.94 175.23 2pn2 s ALA 93 N 1.31 3.44 -0.23 9.38 0.00 -0.31 -1.61 121.76 133.74 2pn2 s ALA 93 Ca -0.04 -1.67 -0.11 0.00 0.00 0.00 0.00 51.96 50.14 2pn2 s ALA 93 Cb -0.17 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.10 2pn2 s ALA 93 CO -0.07 -1.38 0.17 0.42 0.00 0.00 0.00 175.76 174.90 2pn2 s ILE 94 N 1.66 5.36 -0.26 0.00 1.01 0.12 -1.17 121.20 127.92 2pn2 s ILE 94 Ca 0.05 0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.93 2pn2 s ILE 94 Cb -0.19 -3.51 0.05 0.00 0.01 0.00 0.00 42.46 38.82 2pn2 s ILE 94 CO 0.09 0.35 -0.09 -0.89 0.00 0.00 0.00 174.94 174.41 2pn2 s THR 95 N 0.97 2.41 0.38 2.92 2.01 0.27 0.55 115.64 125.15 2pn2 s THR 95 Ca 0.09 -1.47 -0.25 0.00 0.31 0.00 0.00 61.69 60.37 2pn2 s THR 95 Cb -0.13 -2.36 -0.09 0.00 0.01 0.00 0.00 72.50 69.92 2pn2 s THR 95 CO 0.04 0.02 1.03 -0.36 -0.69 0.00 0.00 174.62 174.66 2pn2 s PHE 96 N 1.17 3.37 0.34 4.92 0.08 -1.21 -1.30 117.98 125.35 2pn2 s PHE 96 Ca -0.06 1.67 0.03 0.00 0.12 0.00 0.00 56.93 58.69 2pn2 s PHE 96 Cb -0.19 -3.08 0.62 0.00 -0.57 0.00 0.00 43.02 39.80 2pn2 s PHE 96 CO -0.05 -0.43 1.95 -2.95 -0.10 0.00 0.00 175.22 173.64 2pn2 h ASN 97 N 2.68 0.63 -1.26 1.36 -1.07 -1.83 -3.46 115.58 112.64 2pn2 h ASN 97 Ca -0.48 -0.06 -0.64 0.00 0.07 0.00 0.00 56.30 55.19 2pn2 h ASN 97 Cb 1.21 -0.16 -0.13 0.00 -2.07 0.00 0.00 38.32 37.17 2pn2 h ASN 97 CO 0.63 0.55 -0.57 -1.10 0.07 0.00 0.00 177.43 177.01 2pn2 s GLN 98 N -5.39 2.03 0.14 4.14 1.11 -1.26 -5.07 119.66 115.37 2pn2 s GLN 98 Ca -0.09 -2.21 -0.30 0.00 0.01 0.00 0.00 55.36 52.77 2pn2 s GLN 98 Cb 0.17 -1.59 -0.07 0.00 -1.01 0.00 0.00 33.01 30.51 2pn2 s GLN 98 CO 0.77 -0.16 1.09 -1.83 0.01 0.00 0.00 175.29 175.17 2pn2 s GLU 99 N -3.77 4.58 -0.04 2.91 4.04 -1.26 -5.06 118.70 120.10 2pn2 s GLU 99 Ca 0.25 1.68 0.05 0.00 0.04 0.00 0.00 54.97 56.99 2pn2 s GLU 99 Cb 0.07 -3.31 -0.01 0.00 0.02 0.00 0.00 34.13 30.90 2pn2 s GLU 99 CO 0.13 0.03 -0.19 -0.51 -1.84 0.00 0.00 175.26 172.88 2pn2 s LEU 100 N -0.02 1.97 0.85 1.83 1.43 -1.26 -5.15 118.68 118.33 2pn2 s LEU 100 Ca 0.51 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 2pn2 s LEU 100 Cb -0.28 -1.04 0.10 0.00 0.03 0.00 0.00 46.19 45.00 2pn2 s LEU 100 CO 0.33 0.19 1.11 1.51 0.23 0.00 0.00 176.35 179.72 2pn2 s ASP 101 N -0.13 3.99 0.21 2.29 1.47 -1.26 -4.82 116.67 118.42 2pn2 s ASP 101 Ca -0.01 1.24 -0.09 0.00 1.18 0.00 0.00 52.55 54.87 2pn2 s ASP 101 Cb -0.11 -1.92 0.25 0.00 -0.34 0.00 0.00 42.92 40.80 2pn2 s ASP 101 CO 0.02 -2.28 1.79 0.44 0.68 0.00 0.00 175.17 175.82 2pn2 h ASP 102 N -1.30 0.47 -0.30 2.11 3.32 -2.01 -1.97 116.42 116.75 2pn2 h ASP 102 Ca -0.49 0.04 0.03 0.00 0.02 0.00 0.00 57.03 56.63 2pn2 h ASP 102 Cb 1.29 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 2pn2 h ASP 102 CO 0.59 0.30 0.12 0.50 -1.72 0.00 0.00 179.24 179.04 2pn2 h LYS 103 N 0.61 0.26 -0.30 3.56 3.64 -1.99 -1.76 116.57 120.59 2pn2 h LYS 103 Ca 0.30 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 2pn2 h LYS 103 Cb 0.23 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2pn2 h LYS 103 CO -0.21 0.17 -0.00 1.15 -2.27 0.00 0.00 179.45 178.29 2pn2 h THR 104 N 0.27 1.26 -0.62 1.00 2.02 -1.87 -0.74 112.91 114.22 2pn2 h THR 104 Ca 0.13 -0.95 0.09 0.00 0.77 0.00 0.00 66.41 66.45 2pn2 h THR 104 Cb 0.08 1.28 -0.07 0.00 -1.74 0.00 0.00 68.15 67.70 2pn2 h THR 104 CO -0.11 0.31 0.26 1.56 0.37 0.00 0.00 175.52 177.91 2pn2 h GLN 105 N 0.32 0.46 -0.62 6.66 4.20 -1.30 0.13 115.11 124.96 2pn2 h GLN 105 Ca 0.08 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 2pn2 h GLN 105 Cb 0.44 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 2pn2 h GLN 105 CO 0.02 0.30 0.22 -0.22 -0.67 0.00 0.00 178.83 178.48 2pn2 h LYS 106 N 0.47 0.95 0.14 1.46 1.63 -1.05 0.46 116.57 120.62 2pn2 h LYS 106 Ca 0.30 -0.19 -0.00 0.00 -0.85 0.00 0.00 60.65 59.91 2pn2 h LYS 106 Cb 0.34 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2pn2 h LYS 106 CO -0.27 0.82 -0.09 0.82 -3.45 0.00 0.00 179.45 177.28 2pn2 h ILE 107 N 0.88 0.81 -0.71 2.00 2.04 -0.52 -0.47 117.51 121.54 2pn2 h ILE 107 Ca 0.20 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.02 2pn2 h ILE 107 Cb 0.25 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2pn2 h ILE 107 CO -0.01 0.00 0.27 -0.26 0.00 0.00 0.00 178.15 178.15 2pn2 h PHE 108 N -0.22 1.07 0.37 1.37 0.04 -0.51 0.14 116.94 119.19 2pn2 h PHE 108 Ca -0.01 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 2pn2 h PHE 108 Cb 0.19 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.02 2pn2 h PHE 108 CO -0.08 0.82 -0.18 -0.92 -0.60 0.00 0.00 178.31 177.35 2pn2 h TYR 109 N 1.03 -0.46 -0.66 -0.55 3.20 0.08 -1.71 116.97 117.90 2pn2 h TYR 109 Ca 0.24 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 2pn2 h TYR 109 Cb 0.21 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 2pn2 h TYR 109 CO 0.02 -0.28 0.28 -0.91 -1.64 0.00 0.00 178.16 175.63 2pn2 h ASN 110 N -0.52 0.90 -0.56 -2.11 2.35 -0.84 -2.52 115.58 112.28 2pn2 h ASN 110 Ca -0.05 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 2pn2 h ASN 110 Cb 0.39 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 2pn2 h ASN 110 CO 0.08 0.81 0.29 0.74 -1.65 0.00 0.00 177.43 177.70 2pn2 h THR 111 N 0.92 1.20 -0.38 2.81 2.02 -0.72 -3.00 112.91 115.75 2pn2 h THR 111 Ca 0.22 -0.53 0.07 0.00 0.77 0.00 0.00 66.41 66.94 2pn2 h THR 111 Cb 0.19 0.52 -0.07 0.00 -1.74 0.00 0.00 68.15 67.05 2pn2 h THR 111 CO -0.02 0.22 -0.05 0.00 0.37 0.00 0.00 175.52 176.04 2pn2 h ALA 112 N 1.12 0.30 0.00 6.16 0.00 -1.11 -2.57 119.26 123.16 2pn2 h ALA 112 Ca 0.19 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2pn2 h ALA 112 Cb 0.09 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2pn2 h ALA 112 CO -0.03 -0.43 0.00 -0.07 0.00 0.00 0.00 179.25 178.72 2pn2 h LEU 113 N 0.05 0.00 -1.70 0.00 3.38 -1.33 -2.86 115.31 112.85 2pn2 h LEU 113 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2pn2 h LEU 113 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2pn2 h LEU 113 CO -0.35 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.53 2pn2 n THR 114 N -3.01 0.26 -1.59 0.22 -2.24 -0.98 -4.73 114.28 102.22 2pn2 n THR 114 Ca -0.01 -0.51 -0.32 0.00 -2.27 0.00 0.00 64.05 60.93 2pn2 n THR 114 Cb 0.19 0.82 0.06 0.00 -2.10 0.00 0.00 70.33 69.30 2pn2 n THR 114 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pn2 h PRO 116 N -0.39 0.60 -0.31 0.00 0.11 -1.91 -0.76 132.00 129.34 2pn2 h PRO 116 Ca -0.45 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 2pn2 h PRO 116 Cb 1.24 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2pn2 h PRO 116 CO 0.53 0.39 -0.28 0.28 -0.21 0.00 0.00 178.00 178.72 2pn2 h VAL 117 N 0.61 1.28 -0.78 3.15 2.07 -1.91 -2.53 116.25 118.14 2pn2 h VAL 117 Ca 0.48 -1.38 0.06 0.00 0.82 0.00 0.00 66.70 66.68 2pn2 h VAL 117 Cb 0.70 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 2pn2 h VAL 117 CO -0.38 0.45 0.51 0.00 0.02 0.00 0.00 177.57 178.17 2pn2 h ALA 118 N 1.15 1.62 -0.20 1.67 0.00 -1.47 -1.39 119.26 120.64 2pn2 h ALA 118 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pn2 h ALA 118 Cb 0.76 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2pn2 h ALA 118 CO 0.06 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.20 2pn2 n LYS 119 N -4.48 1.70 0.00 0.00 4.76 -0.93 -3.91 118.16 115.31 2pn2 n LYS 119 Ca 0.11 -1.06 0.01 0.00 -2.87 0.00 0.00 58.31 54.51 2pn2 n LYS 119 Cb 0.20 -1.36 -0.01 0.00 -1.84 0.00 0.00 35.03 32.02 2pn2 n LYS 119 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2pn2 n SER 120 N 0.30 0.24 -4.96 4.39 7.64 -0.56 -5.04 113.62 115.63 2pn2 n SER 120 Ca 0.15 -0.62 -0.22 0.00 1.01 0.00 0.00 58.87 59.19 2pn2 n SER 120 Cb 0.30 0.89 0.03 0.00 -1.01 0.00 0.00 64.21 64.42 2pn2 n SER 120 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2pn2 s ILE 121 N -1.13 2.98 0.12 0.44 -4.36 -0.99 -5.03 121.20 113.23 2pn2 s ILE 121 Ca 0.01 -0.58 -0.31 0.00 -0.26 0.00 0.00 60.65 59.52 2pn2 s ILE 121 Cb 0.02 -3.13 -0.10 0.00 1.25 0.00 0.00 42.46 40.50 2pn2 s ILE 121 CO 0.10 -0.09 1.83 -2.28 0.24 0.00 0.00 174.94 174.73 2pn2 s HIS 122 N -2.75 2.13 0.57 1.37 5.65 -1.26 -4.88 115.29 116.12 2pn2 s HIS 122 Ca 0.55 -0.02 0.27 0.00 0.25 0.00 0.00 55.06 56.12 2pn2 s HIS 122 Cb -0.10 -4.17 1.54 0.00 -1.18 0.00 0.00 32.58 28.67 2pn2 s HIS 122 CO 0.39 -4.84 2.03 -1.35 -0.65 0.00 0.00 174.74 170.32 2pn2 h PRO 123 N 8.65 0.00 0.00 2.88 0.11 -1.95 -1.43 132.00 140.25 2pn2 h PRO 123 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2pn2 h PRO 123 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2pn2 h PRO 123 CO 0.95 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.49 2pn2 n ASP 124 N -3.94 0.07 -4.69 -2.05 8.00 -1.26 -4.75 116.55 107.92 2pn2 n ASP 124 Ca 0.05 0.51 -0.42 0.00 0.71 0.00 0.00 54.79 55.64 2pn2 n ASP 124 Cb 0.45 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 2pn2 n ASP 124 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pn2 s ILE 125 N -3.03 3.79 -0.50 0.53 1.01 -0.54 -4.92 121.20 117.54 2pn2 s ILE 125 Ca 0.08 1.19 -0.29 0.00 0.00 0.00 0.00 60.65 61.63 2pn2 s ILE 125 Cb 0.11 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.83 2pn2 s ILE 125 CO 0.31 0.02 1.26 0.12 0.00 0.00 0.00 174.94 176.65 2pn2 s PHE 126 N 2.10 2.58 -0.67 3.97 5.36 -0.59 -4.94 117.98 125.80 2pn2 s PHE 126 Ca 0.62 0.61 -0.20 0.00 -0.96 0.00 0.00 56.93 56.99 2pn2 s PHE 126 Cb -0.31 -4.42 0.10 0.00 -0.34 0.00 0.00 43.02 38.05 2pn2 s PHE 126 CO 0.26 -1.63 0.86 -0.65 -1.46 0.00 0.00 175.22 172.60 2pn2 s GLN 127 N 4.85 3.15 -0.44 10.12 -0.21 -1.26 -1.07 119.66 134.80 2pn2 s GLN 127 Ca 0.51 -1.22 -0.15 0.00 0.02 0.00 0.00 55.36 54.52 2pn2 s GLN 127 Cb -0.09 -4.33 0.05 0.00 1.00 0.00 0.00 33.01 29.63 2pn2 s GLN 127 CO 0.30 -1.67 0.35 0.21 -2.12 0.00 0.00 175.29 172.36 2pn2 s LYS 128 N 3.15 2.97 -0.19 2.91 2.20 -0.33 -5.01 119.74 125.45 2pn2 s LYS 128 Ca 0.18 -1.20 -0.05 0.00 -0.36 0.00 0.00 55.97 54.55 2pn2 s LYS 128 Cb -0.19 -4.05 -0.03 0.00 -1.51 0.00 0.00 37.83 32.05 2pn2 s LYS 128 CO 0.05 -0.90 -0.01 0.08 -0.36 0.00 0.00 175.35 174.22 2pn2 s VAL 129 N 1.65 3.98 -0.03 4.02 1.01 -1.26 -0.41 120.40 129.37 2pn2 s VAL 129 Ca 0.04 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.77 2pn2 s VAL 129 Cb -0.22 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 2pn2 s VAL 129 CO 0.08 0.45 -0.19 0.27 0.00 0.00 0.00 175.10 175.71 2pn2 s ILE 130 N 0.78 1.52 -0.22 2.22 -4.36 -0.63 -4.99 121.20 115.51 2pn2 s ILE 130 Ca 0.00 -0.80 -0.07 0.00 -0.26 0.00 0.00 60.65 59.51 2pn2 s ILE 130 Cb -0.14 -1.28 -0.03 0.00 1.25 0.00 0.00 42.46 42.26 2pn2 s ILE 130 CO 0.02 0.43 0.07 -0.63 0.24 0.00 0.00 174.94 175.07 2pn2 s ILE 131 N -0.30 4.49 -1.81 8.37 1.01 -1.26 0.16 121.20 131.86 2pn2 s ILE 131 Ca 0.04 -0.12 0.14 0.00 0.00 0.00 0.00 60.65 60.71 2pn2 s ILE 131 Cb -0.09 -3.07 0.11 0.00 0.01 0.00 0.00 42.46 39.43 2pn2 s ILE 131 CO 0.00 0.38 0.96 1.41 0.00 0.00 0.00 174.94 177.69